SCHEMBL9373399

SCHEMBL9373399

CCC(O)c1ccc(C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
LMNA P02545 2/20 0.40
HTR1A P08908 1/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
DAO P14920 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
HSD17B2 P37059 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23258340 1.00 ALOX5 (0.41) ALOX5LMNAHTR1ATOP2ATOP2B
SCHEMBL5247753 0.83 HTR1A (0.42) ALOX5LMNAHTR1ATOP2ATOP2B
SCHEMBL23522265 0.78 HTR1A (0.42) ALOX5LMNAHTR1ATOP2ATOP2B
SCHEMBL14035043 0.77 ALOX5 (0.39) ALOX5LMNATOP2ATOP2BKMT2A
SCHEMBL30505661 0.77 WRN (0.41) LMNAKMT2AALDH1A1HPGDTP53
SCHEMBL12073836 0.77 LMNA (0.39) LMNATOP2ATOP2BKMT2AALDH1A1
SCHEMBL22585593 0.77 GABBR2 (0.42) LMNATOP2ATOP2BKMT2AALDH1A1
SCHEMBL23258012 0.77 GABBR2 (0.42) LMNATOP2ATOP2BKMT2AALDH1A1
SCHEMBL8077711 0.77 ALOX5 (0.46) ALOX5LMNAHTR1ATOP2ATOP2B
SCHEMBL15759881 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
EP-0322164-B1 ETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-22 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
US-5039697-A Adrenergic stimulants, bronchodilators GLAXO GROUP LIMITED (GB) 1991-08-13 US disclosed
US-5032609-A Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1991-07-16 US disclosed
US-5002966-A Adrenergic Stimulants GLAXO GROUP LIMITED (GB) 1991-03-26 US disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed
EP-0322164-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 EP disclosed